5-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-[(1,1-dioxo-3-thiolanyl)-methylamino]-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(1,1-dioxothiolan-3-yl)-methylamino]-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-[(1,1-diketothiolan-3-yl)-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C11H17N3O4S MolecularWeight: 287.33538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N(C)C2CCS(=O)(=O)C2)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N(C)C2CCS(=O)(=O)C2)C

InChI

InChI=1S/C11H17N3O4S/c1-7-9(11(15)16)10(14(3)12-7)13(2)8-4-5-19(17,18)6-8/h8H,4-6H2,1-3H3,(H,15,16)